3-Oxobutanenitrile

Modify Date: 2025-08-21 11:08:00

3-Oxobutanenitrile Structure
3-Oxobutanenitrile structure
Common Name 3-Oxobutanenitrile
CAS Number 2469-99-0 Molecular Weight 83.089
Density 1.0±0.1 g/cm3 Boiling Point 123.5±13.0 °C at 760 mmHg
Molecular Formula C4H5NO Melting Point N/A
MSDS N/A Flash Point 28.5±19.8 °C

 Names

Name 3-Oxobutanenitrile
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.0±0.1 g/cm3
Boiling Point 123.5±13.0 °C at 760 mmHg
Molecular Formula C4H5NO
Molecular Weight 83.089
Flash Point 28.5±19.8 °C
Exact Mass 83.037117
PSA 40.86000
LogP -0.68
Vapour Pressure 13.3±0.2 mmHg at 25°C
Index of Refraction 1.398
InChIKey OPXYNEYEDHAXOM-UHFFFAOYSA-N
SMILES CC(=O)CC#N
Storage condition 2-8°C

 Safety Information

Hazard Codes T+
RIDADR 3276.0
HS Code 2926909090

 Customs

HS Code 2926909090
Summary HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

 Synonyms

2-Oxopropyl cyanide
3-Oxobutanenitrile
NCC(CH3)CO
Butanenitrile, 3-oxo-
3-Oxobutyronitrile
Butanenitrile,3-oxo
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